ChemSpider 2D Image | Methyl N-(2-chloropropanoyl)-beta-alaninate | C7H12ClNO3

Methyl N-(2-chloropropanoyl)-β-alaninate

  • Molecular FormulaC7H12ClNO3
  • Average mass193.628 Da
  • Monoisotopic mass193.050568 Da
  • ChemSpider ID41584461

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Methyl N-(2-chloropropanoyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N-(2-chlorpropanoyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(2-Chloropropanoyl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(2-chloro-1-oxopropyl)-, methyl ester [ACD/Index Name]
1154368-75-8 [RN]
MFCD12114040

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 339.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.3±3.0 kJ/mol
Flash Point: 159.0±23.7 °C
Index of Refraction: 1.453
Molar Refractivity: 44.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.56
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.56
Polar Surface Area: 55 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 165.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement